Triethyl Phosphonoacetate 膦酰基乙酸三乙酯

CAS 867-13-0 MFCD00009177

化学结构图

867-13-0
SMILES: CCOC(=O)CP(=O)(OCC)OCC

化学属性

Mol. FormulaC8H17O5P
Mol. Weight224.19
Density1.13
Boiling Point287.4°C at 760 mmHg
Refractive index1.4290 to 1.4330
Flash Point165°C(lit.)
TSCAYes
Melting Point-24°C
Appearance 无色至微黄色透明液体。

别名和识别编码

Chemical NameTriethyl Phosphonoacetate
MDL NumberMFCD00009177
CAS Number867-13-0
EC Number212-757-6
Beilstein Registry Number1343714
Synonym Triethyl phosphonoacetate {LY} Triethyl phosphonoacetate {} {LY} Triethyl phosphonoacetate {} {} {LY} Triethyl phosphonoacetate {} {} {} {LY} Triethyl phosphonoacetate {} {} {} {} {LY} Triethyl phosphonoacetate {} {} {} {} {} {LY} Triethyl phosphonoacetate {} {} {} {} {} {} {LY} Triethyl phosphonoacetate {} {} {} {} {} {} {} {LY} Triethyl phosphonoacetate {} {} {} {} {} {} {} {} {LY} Triethyl phosphonoacetate {} {} {} {} {} {} {} {} {} {LY} Triethyl phosphonoacetate {} {} {} {} {} {} {} {} {} {} {LY} Triethyl phosphonoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Triethyl phosphonoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Triethyl phosphonoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Triethyl phosphonoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Triethyl phosphonoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Triethy
PubChem Substance ID87568010
Chemical Name Translation膦酰基乙酸三乙酯
Reaxys-RN1343714
Wiswesser Line NotationOPO&O&2&2&1VO2
LabNetwork Molecule IDLN00198948
Canonical SMILESO=C(OCC)CP(OCC)(OCC)=O
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分类

  • {SNA} C-C Bond Formation, Chemical Synthesis, Horner-Wadsworth-Emmons Reagents, Olefination, Synthetic Reagents

产品应用

  • 为一类重要的Wittig-horner试剂，可用作增塑剂、防火剂和萃取 剂等，也是用于制造维生素类化合物、药物、昆虫信息素等天然化合物的重要中间体。

相关文献及参考

  • Reaction with aqueous formaldehyde does not lead to the "expected" Wadsworth-Emmons product, but to ethyl ɑ-(hydroxymethyl)acrylate, a precursor of the synthetically useful ethyl ɑ-bromomethylacrylate, by condensation with the initially-formed "aldol" product: Org. Synth. Coll., 8, 265 (1993).
  • Base-catalyzed aldol, Cannizzaro and saponification reactions can be minimized, by the use of, e.g.: K2CO3: Synthesis, 300 (1983); Tetrahedron Lett., 26, 53 (1985); F-: Tetrahedron Lett., 21, 2161 (1980); N-ethyldiisopropylamine + LiCl: Tetrahedron Lett., 25, 2183 (1984); Et3N + Li halides: J. Org. Chem., 50, 2624 (1985).
  • Wadsworth-Emmons (Horner) reaction with aldehydes and ketones gives acrylic esters. See, e.g.: Org. Synth. Coll., 5, 509, 547 (1973), and Appendix 1.
  • Beilstein:4(1)573

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R51/53
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338+P337+P313
  • P332+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSAG9800000
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves
Hazard Codes 9
UN Number 3082
Packing GroupIII
Hazard Class9
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1180 mg/m3/10M
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NDRC** National Defense Research Committee, Office of Scientific Research
   and Development, Progress Report.  Volume(issue)/page/year:
   NDCrc-132,NOV1942

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,15,1953

Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • Sigma Aldrich:867-13-0(sigmaaldrich)
  • 海关编码:29310095
  • Alfa Aesar:膦酰乙酸三乙脂,98+% Triethyl phosphonoacetate, 98+%(867-13-0)
  • 下游产品:3(2-呋喃)丙酸 --> 2-呋喃丙酸乙酯 --> 3,4-二羟基苯基丙酸
  • 用途一:为一类重要的Wittig-horner试剂，也是用于制造维生素类化合物、药物、昆虫信息素等天然化合物的重要中间体。
  • Acros Organics:乙氧基羰酰甲基磷酸二乙酯 Triethyl phosphonoacetate, 97%(867-13-0)
  • 不溶于水。
  • 用途二:为一类重要的Wittig-horner试剂，可用作增塑剂、防火剂和萃取 剂等，也是用于制造维生素类化合物、药物、昆虫信息素等天然化合物的重要中间体。
  • 磷酰基乙酸三乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D1523 膦酰基乙酸三乙酯 Triethyl Phosphonoacetate 500G 800元 2014/06/02 D1523 膦酰基乙酸三乙酯 Triethyl Phosphonoacetate 25G 90元 2010/06/21 139701000 磷酰基乙酸三乙酯 Triethyl phosphonoacetate 97% 100 GR 777元
  • MSDS 信息:Triethyl phosphonoacetate(867-13-0).msds
  • Hazard Note:Harmful
  • MOL 文件:867-13-0.mol
  • 检测方法:GC,NMR
  • 图谱信息:磷酰基乙酸三乙酯(867-13-0)红外图谱(IR2) 磷酰基乙酸三乙酯(867-13-0)红外图谱(IR1) 磷酰基乙酸三乙酯(867-13-0)质谱(MS) 磷酰基乙酸三乙酯(867-13-0)核磁图( 13 CNMR) 磷酰基乙酸三乙酯(867-13-0)核磁图( 1 HNMR)
  • TCI Shanghai:磷酰基乙酸三乙酯 Triethyl Phosphonoacetate,>;97.0%(GC)(867-13-0)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Phosphorus Compounds 磷化合物
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. C-C Bond Formation - Synthetic Reagents
  4. Olefination - C-C Bond Formation
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. C-C Bond Formation - Synthetic Reagents
  4. Olefination - C-C Bond Formation
  5. Horner-Wadsworth-Emmons Reagents - Olefination
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. C-C Bond Formation - Synthetic Reagents
  4. Olefination - C-C Bond Formation
  5. Horner-Wadsworth-Emmons Reagents - Olefination
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Wittig & Horner-Emmons Reaction
  1. Functional Group 官能团索引
  2. phosphonic acid derivative
  1. Functional Group 官能团索引
  2. phosphonic acid ester

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